476024

Source:http://linkedlifedata.com/resource/chembl/compound/476024

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H21N3O4S/c1-27-17-10-15-16(11-18(17)28-2)25(13-24-15)20-12-19(21(30-20)22(23)26)29-9-8-14-6-4-3-5-7-14/h3-7,10-13H,8-9H2,1-2H3,(H2,23,26)
chemicalCompound:standardIn...	WJXHPWZUPIMHJP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2ncn(c3cc(OCCc4ccccc4)c(s3)C(=O)N)c2cc1OC
chemicalCompound:molecularF...	C22H21N3O4S
chemicalCompound:moleculeId	476024
chemicalCompound:mwFreebase	423.485
chemicalCompound:alogp	4.063
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	116.83
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.059
chemicalCompound:acdLogD	2.059
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	423.485
chemicalCompound:acdMostBpk...	3.415
chemicalCompound:chemblId	CHEMBL473629
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:576024
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2505543, activity:2505584, activity:7327861, activity:8076397, activity:8076398, activity:8076399, activity:8076400, activity:8076401, activity:8076402, activity:8076403, activity:8076404, activity:8076405, activity:8076406, activity:8076407, activity:8076408, activity:8076409, activity:8076410, activity:8076411, activity:8076412, activity:8076413, activity:8076414, activity:8076415, activity:8076416, activity:8076417, activity:8076418, activity:8076419, activity:8076420, activity:8076421, activity:8076422, activity:8076423, activity:8076424, activity:8076425, activity:8076426, activity:8076427, activity:8076428, activity:8076429, activity:8076430, activity:8076431, activity:8076432, activity:8076433, activity:8076434, activity:8076435, activity:8076436, activity:8076437, activity:8076438, activity:8076439, activity:8076440, activity:8076441, activity:8076442, activity:8076443, activity:8076444, activity:8076445, activity:8076446, activity:8076447, activity:8076448, activity:8076449, activity:8076450, activity:8076451, activity:8076452, activity:8076453, activity:8076454, activity:8076455, activity:8076456, activity:8076457, activity:8076458, activity:8076459, activity:8076460